toolbox¶
mbuild_polybuild.toolbox
Description
Toolbox Module
This module contains helper functions for forming molecules, generating sequences, and applying forcefield parameters.
Functions¶
_import_pdb: Retrieve the file path of a PDB file distributed with mbuild-polybuild.
atom2port: Replace specific atom types with ports in a given trajectory.
random_sequence: Generate a random copolymer sequence.
apply_nbfix: Apply non-bonded interaction fixes to a structure using parameters from a file.
Functions
Apply non-bonded interaction fixes to a structure using parameters from a file. |
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Replace specific atom types with ports in the given trajectory. |
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Generate a random copolymer sequence. |